DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:17:15 UTC
Update Date	2025-03-25 01:00:01 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02240684
Frequency	0.5
Structure
Chemical Formula	C₂₇H₃₀O₁₇
Molecular Mass	626.1483
SMILES	CC(C(=O)c1c(O)cc(OC2OC(C(=O)O)C(O)C(O)C2O)cc1OC1OC(C(=O)O)C(O)C(O)C1O)c1ccc(O)cc1
InChI Key	XQOZBEQOZZIQCE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	alpha-methyldeoxybenzoin flavonoids
Subclass	alpha-methyldeoxybenzoin flavonoids
Direct Parent	alpha-methyldeoxybenzoin flavonoids
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids acetals alkyl-phenylketones aryl alkyl ketones benzoyl derivatives beta hydroxy acids and derivatives carboxylic acids dicarboxylic acids and derivatives glucuronic acid derivatives hydrocarbon derivatives monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes phenol ethers phenoxy compounds phenylpropanes pyran carboxylic acids secondary alcohols stilbenes vinylogous acids
Substituents	phenol ether monocyclic benzene moiety carbonyl group carboxylic acid aryl alkyl ketone glucuronic acid or derivatives aromatic heteromonocyclic compound benzoyl o-glucuronide 1-hydroxy-2-unsubstituted benzenoid monosaccharide carboxylic acid derivative pyran carboxylic acid ketone phenylpropane 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal oxane organoheterocyclic compound alcohol pyran carboxylic acid or derivatives hydroxy acid 1-hydroxy-4-unsubstituted benzenoid phenylketone alpha-methyldeoxybenzoin flavonoid oxacycle vinylogous acid organic oxygen compound pyran secondary alcohol dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid phenoxy compound alkyl-phenylketone organooxygen compound aryl ketone stilbene

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